4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid

C13H13ClFNO4 — CID 66222666

IUPAC4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(Cc1c(F)cccc1Cl)NC1COCC1C(=O)O
InChIInChI=1S/C13H13ClFNO4/c14-9-2-1-3-10(15)7(9)4-12(17)16-11-6-20-5-8(11)13(18)19/h1-3,8,11H,4-6H2,(H,16,17)(H,18,19)
InChIKeyLGMRXUSASXUOJB-UHFFFAOYSA-N
MW301.70 g/mol
LogP1.24
Rot. Bonds4

About 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid

4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 66222666) has the molecular formula C13H13ClFNO4 and a molecular weight of 301.70 g/mol. Its IUPAC name is 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID66222666
Molecular FormulaC13H13ClFNO4
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(Cc1c(F)cccc1Cl)NC1COCC1C(=O)O
InChIInChI=1S/C13H13ClFNO4/c14-9-2-1-3-10(15)7(9)4-12(17)16-11-6-20-5-8(11)13(18)19/h1-3,8,11H,4-6H2,(H,16,17)(H,18,19)
InChIKeyLGMRXUSASXUOJB-UHFFFAOYSA-N
XLogP1.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2-chlorophenyl)propanoylamino]oxolane-3-carboxylic acid
CID 66222677
N-(4-chlorocyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 114297195
4-[[2-(3-hydroxyphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66221632
4-[3-(2-fluorophenoxy)propanoylamino]oxolane-3-carboxylic acid
CID 66220969
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
4-[(2-bromo-6-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 114558567
2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 110903629
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-oxoacetic acid
CID 2780091
N'-acetyl-2-(2-chloro-6-fluorophenyl)acetohydrazide
CID 30905798
4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238951
N'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide
CID 4811592
2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide
CID 55068411

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid (CID 66222666) is 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid is O=C(Cc1c(F)cccc1Cl)NC1COCC1C(=O)O.
What is the InChIKey of 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is LGMRXUSASXUOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO4/c14-9-2-1-3-10(15)7(9)4-12(17)16-11-6-20-5-8(11)13(18)19/h1-3,8,11H,4-6H2,(H,16,17)(H,18,19).
What are the key properties of 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid?
4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 301.70 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66222666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).